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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23ClO5
Molecular Weight 390.857
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of SCLEROTIORIN

SMILES

CC[C@H](C)\C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CO1

InChI

InChIKey=SWJLTKXURNHVHE-UPWXJBBJSA-N
InChI=1S/C21H23ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)19(24)21(5,27-14(4)23)20(25)18(16)22/h7-12H,6H2,1-5H3/b8-7+,13-9+/t12-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H23ClO5
Molecular Weight 390.857
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
BA54VZ8Z50
Record Status Validated (UNII)
Record Version